3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol

C11H12N4O — CID 69057591

IUPAC3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1cnc(N)nc1N
InChIInChI=1S/C11H12N4O/c1-6-7(3-2-4-9(6)16)8-5-14-11(13)15-10(8)12/h2-5,16H,1H3,(H4,12,13,14,15)
InChIKeyCWQAFOYETRSRDB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.32
Rot. Bonds1

About 3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol

3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol (PubChem CID 69057591) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol.

Molecular Properties

Compound Name3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol
PubChem CID69057591
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1cnc(N)nc1N
InChIInChI=1S/C11H12N4O/c1-6-7(3-2-4-9(6)16)8-5-14-11(13)15-10(8)12/h2-5,16H,1H3,(H4,12,13,14,15)
InChIKeyCWQAFOYETRSRDB-UHFFFAOYSA-N
XLogP1.32
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol?
The IUPAC name of 3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol (CID 69057591) is 3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol.
What is the SMILES notation for 3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol?
The canonical SMILES for 3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol is Cc1c(O)cccc1-c1cnc(N)nc1N.
What is the InChIKey of 3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol?
The InChIKey is CWQAFOYETRSRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-6-7(3-2-4-9(6)16)8-5-14-11(13)15-10(8)12/h2-5,16H,1H3,(H4,12,13,14,15).
What are the key properties of 3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol?
3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol has a molecular weight of 216.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diaminopyrimidin-5-yl)-2-methylphenol is sourced from PubChem (CID 69057591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).